Chemical Properties of Benzene, (1-propylheptyl)- (CAS 4537-12-6)

InChI

InChI=1S/C16H26/c1-3-5-6-8-12-15(11-4-2)16-13-9-7-10-14-16/h7,9-10,13-15H,3-6,8,11-12H2,1-2H3

InChI Key

QTDBKYLPIZUTFN-UHFFFAOYSA-N

Formula

C16H26

SMILES

CCCCCCC(CCC)c1ccccc1

Molecular Weight¹

218.38

CAS

4537-12-6

Other Names

• Decane, 4-phenyl-
• (4-Decyl)benzene
• (1-Propylheptyl)benzene

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• IE : Ionization energy (eV).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• P_c : Critical Pressure (kPa).
• I_np : Non-polar retention indices.
• I : Polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ω	0.5782		Relay (1.0) Calculated Property
ΔfusH°	27.71	kJ/mol	Joback Calculated Property
ΔvapH°	70.13	kJ/mol	Relay (1.0) Calculated Property
IE	8.62	eV	Relay (1.0) Calculated Property
log10WS	-6.33		Relay (1.0) Calculated Property
logPoct/wat	5.541		Crippen Calculated Property
McVol	212.540	ml/mol	McGowan Calculated Property
Pc	1714.61	kPa	Joback Calculated Property
Inp	[264.40; 1550.00]
Inp	1538.00		NIST
Inp	1550.00		NIST
Inp	1534.00		NIST
Inp	1534.00		NIST
Inp	264.40		NIST
Inp	264.40		NIST
Inp	1534.00		NIST
I	[1743.00; 1743.00]
I	1743.00		NIST
I	1743.00		NIST
I	1743.00		NIST
Tboil	548.20	K	Relay (1.0) Calculated Property
Tc	746.95	K	Relay (1.0) Calculated Property
Tfus	237.48	K	Relay (1.0) Calculated Property
Vc	0.790	m3/kmol	Relay (1.0) Calculated Property

Cheméo can also estimate Enthalpy of formation at standard conditions, Standard Gibbs free energy of formation for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[545.21; 647.50]	J/mol×K	[591.92; 784.88]
Cp,gas	545.21	J/mol×K	591.92	Joback Calculated Property
Cp,gas	564.70	J/mol×K	624.08	Joback Calculated Property
Cp,gas	583.16	J/mol×K	656.24	Joback Calculated Property
Cp,gas	600.63	J/mol×K	688.40	Joback Calculated Property
Cp,gas	617.15	J/mol×K	720.56	Joback Calculated Property
Cp,gas	632.76	J/mol×K	752.72	Joback Calculated Property
Cp,gas	647.50	J/mol×K	784.88	Joback Calculated Property
η	[0.0001409; 0.0047483]	Pa×s	[281.50; 591.92]
η	0.0047483	Pa×s	281.50	Joback Calculated Property
η	0.0016759	Pa×s	333.24	Joback Calculated Property
η	0.0007826	Pa×s	384.97	Joback Calculated Property
η	0.0004377	Pa×s	436.71	Joback Calculated Property
η	0.0002769	Pa×s	488.45	Joback Calculated Property
η	0.0001912	Pa×s	540.18	Joback Calculated Property
η	0.0001409	Pa×s	591.92	Joback Calculated Property

Similar Compounds

Find more compounds similar to Benzene, (1-propylheptyl)-.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
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